SCHEMBL23009079

SCHEMBL23009079

C=CC(CCC)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.51
CTSS P25774 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12893562 0.90 CTSK (0.63) CTSK
SCHEMBL15221109 0.87 CTSK (0.49) CTSK
SCHEMBL12635207 0.86 CTSK (0.51) CTSKCTSS
SCHEMBL2900790 0.86 CTSK (0.51) CTSKCTSS
SCHEMBL12635213 0.86 CTSK (0.51) CTSKCTSS
SCHEMBL418758 0.85 CTSK (0.63) CTSK
SCHEMBL3667036 0.85 CTSK (0.63) CTSK
SCHEMBL12635080 0.85 CTSK (0.63) CTSK
SCHEMBL31483558 0.84 CTSK (0.49) CTSK
SCHEMBL20738187 0.84 CTSK (0.47) CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027647-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2021-02-18 WO disclosed